butyl 4-[2-[2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[2-oxo-2-(2-thienyl)ethyl]sulfanylthiazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[2-[(2-oxo-2-thiophen-2-ylethyl)thio]-4-thiazolyl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[[2-keto-2-(2-thienyl)ethyl]thio]thiazol-4-yl]acetyl]amino]benzoic acid butyl ester Formula: C22H22N2O4S3 MolecularWeight: 474.61608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)SCC(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)SCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H22N2O4S3/c1-2-3-10-28-21(27)15-6-8-16(9-7-15)23-20(26)12-17-13-30-22(24-17)31-14-18(25)19-5-4-11-29-19/h4-9,11,13H,2-3,10,12,14H2,1H3,(H,23,26)